CID 145913065

2378490-64-1

Structural Information

Molecular Formula
C8H14O3
SMILES
C[C@@H]1CC[C@H](OC1)CC(=O)O
InChI
InChI=1S/C8H14O3/c1-6-2-3-7(11-5-6)4-8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/t6-,7+/m1/s1
InChIKey
OAJGFIZJAXNTRW-RQJHMYQMSA-N
Compound name
2-[(2S,5R)-5-methyloxan-2-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.0943 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.10158 133.4
[M+Na]+ 181.08352 138.7
[M-H]- 157.08702 135.8
[M+NH4]+ 176.12812 152.2
[M+K]+ 197.05746 139.1
[M+H-H2O]+ 141.09156 128.3
[M+HCOO]- 203.09250 151.4
[M+CH3COO]- 217.10815 173.9
[M+Na-2H]- 179.06897 137.8
[M]+ 158.09375 130.8
[M]- 158.09485 130.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.